1-(2,5-dichlorophenyl)-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea

C15H17Cl2N5OS — CID 22510748

IUPAC1-(2,5-dichlorophenyl)-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
SMILESCC1CCCCN1c1nnc(NC(=O)Nc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C15H17Cl2N5OS/c1-9-4-2-3-7-22(9)15-21-20-14(24-15)19-13(23)18-12-8-10(16)5-6-11(12)17/h5-6,8-9H,2-4,7H2,1H3,(H2,18,19,20,23)
InChIKeyQAGMQSPPPJATOB-UHFFFAOYSA-N
MW386.31 g/mol
LogP4.87
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea

1-(2,5-dichlorophenyl)-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 22510748) has the molecular formula C15H17Cl2N5OS and a molecular weight of 386.31 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID22510748
Molecular FormulaC15H17Cl2N5OS
Molecular Weight386.31 g/mol
Exact Mass385.05
IUPAC Name1-(2,5-dichlorophenyl)-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
SMILESCC1CCCCN1c1nnc(NC(=O)Nc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C15H17Cl2N5OS/c1-9-4-2-3-7-22(9)15-21-20-14(24-15)19-13(23)18-12-8-10(16)5-6-11(12)17/h5-6,8-9H,2-4,7H2,1H3,(H2,18,19,20,23)
InChIKeyQAGMQSPPPJATOB-UHFFFAOYSA-N
XLogP4.87
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.31
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
CID 3457777
1-(4-bromo-2-fluorophenyl)-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
CID 22510749
1-(4-bromo-3-methylphenyl)-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
CID 22510750
1-(2-methoxy-4-nitrophenyl)-3-[5-[(2R)-2-methylpiperidin-1-yl]-1,3,4-thiadiazol-2-yl]urea
CID 92678651
1-[5-[(2S)-2-methylpiperidin-1-yl]-1,3,4-thiadiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 92678645
1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,5-dichlorophenyl)urea
CID 22510829
1-[(4-fluorophenyl)methyl]-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
CID 22510779
1-(4-chlorophenyl)-3-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)urea
CID 22509963
1-(3-chloro-4-methylphenyl)-3-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)urea
CID 22509953
N-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-2,5-dichlorobenzamide
CID 95733361
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
1-(3-chloro-4-methylphenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea
CID 22509982

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea (CID 22510748) is 1-(2,5-dichlorophenyl)-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea is CC1CCCCN1c1nnc(NC(=O)Nc2cc(Cl)ccc2Cl)s1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is QAGMQSPPPJATOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5OS/c1-9-4-2-3-7-22(9)15-21-20-14(24-15)19-13(23)18-12-8-10(16)5-6-11(12)17/h5-6,8-9H,2-4,7H2,1H3,(H2,18,19,20,23).
What are the key properties of 1-(2,5-dichlorophenyl)-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea?
1-(2,5-dichlorophenyl)-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 386.31 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 22510748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).